Chemical ID: 5628028

Cc1ccc(cc1)S(=O)(=O)c2c(oc(n2)c3ccc(cc3)Cl)N(C)C
Chemical ID:
5628028
Name [?]:
2-(4-chlorophenyl)-N,N-dimethyl-4-(p-tolylsulfonyl)oxazol-5-amine
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)c2c(oc(n2)c3ccc(cc3)Cl)N(C)C
InChi [?]:
InChI=1/C18H17ClN2O3S/c1-12-4-10-15(11-5-12)25(22,23)17-18(21(2)3)24-16(20-17)13-6-8-14(19)9-7-13/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,25,3,7,17,21,18,20,4,6,2,16,19,5,14,11,12,22,15,23,9,10,13,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(22,23)/CRV:25.6/rA:25nCCCCCCCSOOCCOCNCCCCCCClNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;d11;s12;s13;s11d14;s14;s16;d17;s18;d19;d16s20;s19;s12;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17ClN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.9715
Area:568.766
Solvation:-2.24761
Coulombic:-30.8418
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:376.858
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.86
LogP (Chemaxon):4.94

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Descriptor Annotations

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